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CAS 138113-09-4
PharmaCompass
CAS 138113-09-4
Also known as: 138113-09-4, 2-(7-methoxy-1-naphthyl)ethanamine, 7-methoxy-1-naphthaleneethanamine, Schembl124465, Ctk4c1106, Ks-00003soh
Molecular Formula
C13H15NO
Molecular Weight
201.269  g/mol
InChI Key
YXDUMIVUPSVYLB-UHFFFAOYSA-N

1 2D Structure

CAS 138113-09-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(7-methoxynaphthalen-1-yl)ethanamine
2.1.2 InChI
InChI=1S/C13H15NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7-8,14H2,1H3
2.1.3 InChI Key
YXDUMIVUPSVYLB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=CC=C2CCN)C=C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 138113-09-4

2. 2-(7-methoxy-1-naphthyl)ethanamine

3. 7-methoxy-1-naphthaleneethanamine

4. Schembl124465

5. Ctk4c1106

6. Ks-00003soh

7. Dtxsid00453436

8. 7-methoxynaphthalene-1-ethanamine

9. Yxdumivupsvylb-uhfffaoysa-n

10. 2-(7-methoxynaphth-1-yl)ethylamine

11. Anw-45813

12. Zinc34619184

13. Akos015998974

14. Aj-89810

15. Ak-87351

16. Kb-15285

17. Or050108

18. Or147025

19. Ts-01498

20. 2-(7-methoxy-naphthalen-1-yl)-ethylamine

21. Ax8227397

22. Db-063232

23. Tc-071786

24. 2-(7-methoxy-1-naphthyl)ethylamine

25. 2-(7-methoxynaphthalen-1-yl)ethan-1-amine

26. Ft-0743448

27. St24021821

28. W3009

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 201.269 g/mol
Molecular Formula C13H15NO
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass201.115 g/mol
Monoisotopic Mass201.115 g/mol
Topological Polar Surface Area35.2 A^2
Heavy Atom Count15
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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